SCHEMBL8094873

SCHEMBL8094873

O=C(O)c1cn(C2CC2)c2c(F)c(N3Cc4ccccc4C3)c(F)cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.60
TOP2B Q02880 6/20 0.60
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
OPRM1 P35372 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
OPRD1 P41143 1/20 0.55
KCNH2 Q12809 5/20 0.55
KDM4E B2RXH2 4/20 0.53
HPGD P15428 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
CLK2 P49760 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GSK3B P49841 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9757334 0.91 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757274 0.91 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757349 0.90 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757511 0.89 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757498 0.89 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757420 0.89 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8093551 0.89 TOP2A (0.53) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9317503 0.89 TOP2A (0.57) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757337 0.89 TOP2A (0.53) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9757256 0.89 TOP2A (0.53) TOP2ATOP2BALDH1A1POLBOPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3181478-A None JP disclosed
JP-2062875-A None JP disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
US-5464796-A Bactericides and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
US-5371090-A Bactericides, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5312823-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed
EP-0520277-A2 7-Azaisoindolinyl-quinolone- and naphthyridoncarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed
JP-H03181478-A PYRIDINECARBOXYLIC ACID DERIVATIVE BANYU PHARMACEUT CO LTD 1991-08-07 JP disclosed
JP-H0262875-A NOVEL ISOINDOLINE DERIVATIVE WAKUNAGA PHARMACEUT CO LTD 1990-03-02 JP disclosed